Publications obtained by using VSC

Here are the scientific Publications of the various Projects on the VSC, while a collection of interesting articles for the general audience can be found in the main menu at Presscorner.
 



765 entries found
with the tags:
  • Menzl Georg, Gonzalez Miguel A., Geiger Philipp, Caupin Frederic, Abascal Jose L. F., Valeriani Chantal, Dellago Christoph
    Molecular mechanism for cavitation in water under tension
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 113, 13582 (2016)
  • Schoenauer K., Weiss S., Feyer V., Lueftner D., Stadtmueller B., Schwarz D., Sueyoshi T., Kumpf C., Puschnig P., Ramsey M. G., Tautz F. S., Soubatch S.
    Charge transfer and symmetry reduction at the CuPc/Ag(110) interface studied by photoemission tomography
    PHYSICAL REVIEW B 94, 205144 (2016)
  • Gall Johannes, Zeppenfeld Peter, Sun Lidong, Zhang Li, Luo Yang, Dong Zhenchao, Hu Chunguang, Puschnig Peter
    Spectroscopic STM studies of single pentacene molecules on Cu(110)-c(6 x 2)O
    PHYSICAL REVIEW B 94, 195441 (2016)
  • Scheiber D., Pippan R., Puschnig P., Romaner L.
    Ab initio search for cohesion-enhancing impurity elements at grain boundaries in molybdenum and tungsten
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING 24, 085009 (2016)
  • Ules Thomas, Lueftner Daniel, Reinisch Eva Maria, Koller Georg, Puschnig Peter, Ramsey Michael G.
    Continuous or discrete: Tuning the energy level alignment of organic layers with alkali dopants
    PHYSICAL REVIEW B 94, 205405 (2016)
  • Rupp Karl, Tillet Philippe, Rudolf Florian, Weinbub Josef, Morhammer Andreas, Grasser Tibor, Juengel Ansgar, Selberherr Siegfried
    VIENNACL-LINEAR ALGEBRA LIBRARY FOR MULTI- AND MANY-CORE ARCHITECTURES
    SIAM JOURNAL ON SCIENTIFIC COMPUTING 38, S412 (2016)
  • Leukauf Daniel, Gohm Alexander, Rotach Mathias W.
    Quantifying horizontal and vertical tracer mass fluxes in an idealized valley during daytime
    ATMOSPHERIC CHEMISTRY AND PHYSICS 16, 13049 (2016)
  • Crouseilles Nicolas, Einkemmer Lukas, Faou Erwan
    An asymptotic preserving scheme for the relativistic Vlasov-Maxwell equations in the classical limit
    COMPUTER PHYSICS COMMUNICATIONS 209, 13 (2016)
  • Borrero E. E., Dellago C.
    Avoiding traps in trajectory space: Metadynamics enhanced transition path sampling
    EUROPEAN PHYSICAL JOURNAL-SPECIAL TOPICS 225, 1609 (2016)
  • Tran Fabien, Blaha Peter, Betzinger Markus, Bluegel Stefan
    Approximations to the exact exchange potential: KLI versus semilocal
    PHYSICAL REVIEW B 94, 165149 (2016)
  • Bhandary Sumanta, Assmann Elias, Aichhorn Markus, Held Karsten
    Charge self-consistency in density functional theory combined with dynamical mean field theory: k-space reoccupation and orbital order
    PHYSICAL REVIEW B 94, 155131 (2016)
  • Romanyuk O., Supplie O., Susi T., May M. M., Hannappel T.
    Ab initio density functional theory study on the atomic and electronic structure of GaP/Si(001) heterointerfaces
    PHYSICAL REVIEW B 94, 155309 (2016)
  • Ruckenbauer Matthias, Mai Sebastian, Marquetand Philipp, Gonzalez Leticia
    Revealing Deactivation Pathways Hidden in Time-Resolved Photoelectron Spectra
    SCIENTIFIC REPORTS 6, 35522 (2016)
  • Erbahar Dogan, Susi Toma, Rocquefelte Xavier, Bittencourt Carla, Scardamaglia Mattia, Blaha Peter, Guttmann Peter, Rotas Georgios, Tagmatarchis Nikos, Zhu Xiaohui, Hitchcock Adam P., Ewels Chris P.
    Spectromicroscopy of C-60 and azafullerene C59N: Identifying surface adsorbed water
    SCIENTIFIC REPORTS 6, 35605 (2016)
  • Susi Toma, Hofer Christoph, Argentero Giacomo, Leuthner Gregor T., Pennycook Timothy J., Mangler Clemens, Meyer Jannik C., Kotakoski Jani
    Isotope analysis in the transmission electron microscope
    NATURE COMMUNICATIONS 7, 13040 (2016)
  • Wang Yin, Gkeka Paraskevi, Fuchs Julian E., Liedl Klaus R., Cournia Zoe
    DPPC-cholesterol phase diagram using coarse-grained Molecular Dynamics simulations
    BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES 1858, 2846 (2016)
  • Gunacker P., Wallerberger M., Ribic T., Hausoel A., Sangiovanni G., Held K.
    Worm-improved estimators in continuous-time quantum Monte Carlo
    PHYSICAL REVIEW B 94, 125153 (2016)
  • Mueller Danny, Knoll Christian, Seifried Marco, Weinberger Peter
    ATR or transmission-A variable temperature study comparing both techniques using [Fe(3ditz)(3)](BF4)(2) as model system
    VIBRATIONAL SPECTROSCOPY 86, 198 (2016)
  • Ivanov A. N., Cronenberg G., Hoellwieser R., Jenke T., Pitschmann M., Wellenzohn M., Abele H.
    Exact solution for chameleon field, self-coupled through the Ratra-Peebles potential with n=1 and confined between two parallel plates
    PHYSICAL REVIEW D 94, 085005 (2016)
  • Rupp Karl, Weinbub Josef, Juengel Ansgar, Grasser Tibor
    Pipelined Iterative Solvers with Kernel Fusion for Graphics Processing Units
    ACM TRANSACTIONS ON MATHEMATICAL SOFTWARE 43, 11 (2016)
  • McCann Jamie, Schneeweiss Gerald M., Stuessy Tod F., Villasenor Jose L., Weiss-Schneeweiss Hanna
    The Impact of Reconstruction Methods, Phylogenetic Uncertainty and Branch Lengths on Inference of Chromosome Number Evolution in American Daisies (Melampodium, Asteraceae)
    PLOS ONE 11, e0162299 (2016)
  • Jungblut Swetlana, Dellago Christoph
    Heterogeneous Crystallization on Pairs of Pre-Structured Seeds
    JOURNAL OF PHYSICAL CHEMISTRY B 120, 9230 (2016)
  • Tona Veronica, Ruider Stefan A., Berger Martin, Shaaban Saad, Padmanaban Mohan, Xie Lan-Gui, Gonzalez Leticia, Maulide Nuno
    Divergent ynamide reactivity in the presence of azides - an experimental and computational study
    CHEMICAL SCIENCE 7, 6032 (2016)
  • Muldoon Frank H., Kuhlmann Hendrik C.
    Origin of particle accumulation structures in liquid bridges: Particle-boundary-interactions versus inertia
    PHYSICS OF FLUIDS 28, 073305 (2016)
  • Doppler Jorg, Mailybaev Alexei A., Bohm Julian, Kuhl Ulrich, Girschik Adrian, Libisch Florian, Milburn Thomas J., Rabl Peter, Moiseyev Nimrod, Rotter Stefan
    Dynamically encircling an exceptional point for asymmetric mode switching
    NATURE 537, 76 (2016)
  • Scheiber Daniel, Pippan Reinhard, Puschnig Peter, Ruban Andrei, Romaner Lorenz
    Ab-initio search for cohesion-enhancing solute elements at grain boundaries in molybdenum and tungsten
    INTERNATIONAL JOURNAL OF REFRACTORY METALS & HARD MATERIALS 60, 75 (2016)
  • Leitold Christian, Dellago Christoph
    Nucleation and structural growth of cluster crystals
    JOURNAL OF CHEMICAL PHYSICS 145, 074504 (2016)
  • Bliem Roland, van der Hoeven Jessi E. S., Hulva Jan, Pavelec Jiri, Gamba Oscar, de Jongh Petra E., Schmid Michael, Blaha Peter, Diebold Ulrike, Parkinson Gareth S.
    Dual role of CO in the stability of subnano Pt clusters at the Fe3O4(001) surface
    PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA 113, 8921 (2016)
  • Plasser Felix, Gonzalez Leticia
    Communication: Unambiguous comparison of many-electron wavefunctions through their overlaps
    JOURNAL OF CHEMICAL PHYSICS 145, 021103 (2016)
  • Reilly Anthony M., Cooper Richard I., Adjiman Claire S., Bhattacharya Saswata, Boese A. Daniel, Brandenburg Jan Gerit, Bygrave Peter J., Bylsma Rita, Campbell Josh E., Car Roberto, Case David H., Chadha Renu, Cole Jason C., Cosburn Katherine, Cuppen Herma
    Report on the sixth blind test of organic crystal structure prediction methods
    ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE CRYSTAL ENGINEERING AND MATERIALS 72, 439 (2016)

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